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82558-95-0 | Benzamide, N-[3-(1,1-dimethylethyl)-5-isoxazolyl]-3,4-dimethoxy-
CAS No: 82558-95-0 Catalog No: AG00572Q MDL No:
Product Description
Catalog Number:
AG00572Q
Chemical Name:
Benzamide, N-[3-(1,1-dimethylethyl)-5-isoxazolyl]-3,4-dimethoxy-
CAS Number:
82558-95-0
Molecular Formula:
C16H20N2O4
Molecular Weight:
304.3410
IUPAC Name:
N-(3-tert-butyl-1,2-oxazol-5-yl)-3,4-dimethoxybenzamide
InChI:
InChI=1S/C16H20N2O4/c1-16(2,3)13-9-14(22-18-13)17-15(19)10-6-7-11(20-4)12(8-10)21-5/h6-9H,1-5H3,(H,17,19)
InChI Key:
MINDZLKYDUERDI-UHFFFAOYSA-N
SMILES:
COc1cc(ccc1OC)C(=O)Nc1onc(c1)C(C)(C)C
Properties
Complexity:
383
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
304.142g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
304.346g/mol
Monoisotopic Mass:
304.142g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
73.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2
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